(4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine

C18H31NO — CID 167005164

IUPAC(4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine
SMILESC/C=C\C=C(OCC(C)/C=C\C)/C(=C/CCC)N(C)C
InChIInChI=1S/C18H31NO/c1-7-10-13-17(19(5)6)18(14-11-8-2)20-15-16(4)12-9-3/h8-9,11-14,16H,7,10,15H2,1-6H3/b11-8-,12-9-,17-13-,18-14+
InChIKeyJWQSQKBBNREZMY-VOBGPZRYSA-N
MW277.45 g/mol
LogP4.92
Rot. Bonds9

About (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine

(4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine (PubChem CID 167005164) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine.

Molecular Properties

Compound Name(4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine
PubChem CID167005164
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine
SMILESC/C=C\C=C(OCC(C)/C=C\C)/C(=C/CCC)N(C)C
InChIInChI=1S/C18H31NO/c1-7-10-13-17(19(5)6)18(14-11-8-2)20-15-16(4)12-9-3/h8-9,11-14,16H,7,10,15H2,1-6H3/b11-8-,12-9-,17-13-,18-14+
InChIKeyJWQSQKBBNREZMY-VOBGPZRYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine?
The IUPAC name of (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine (CID 167005164) is (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine.
What is the SMILES notation for (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine?
The canonical SMILES for (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine is C/C=C\C=C(OCC(C)/C=C\C)/C(=C/CCC)N(C)C.
What is the InChIKey of (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine?
The InChIKey is JWQSQKBBNREZMY-VOBGPZRYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-10-13-17(19(5)6)18(14-11-8-2)20-15-16(4)12-9-3/h8-9,11-14,16H,7,10,15H2,1-6H3/b11-8-,12-9-,17-13-,18-14+.
What are the key properties of (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine?
(4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine has a molecular weight of 277.45 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E,8Z)-N,N-dimethyl-6-[(Z)-2-methylpent-3-enoxy]deca-4,6,8-trien-5-amine is sourced from PubChem (CID 167005164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).